Molecule:100987: Difference between revisions

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|moleculeKey=PDVCFPPNDZGLBQ-UHFFFAOYSA-L
|moleculeKey=PDVCFPPNDZGLBQ-UHFFFAOYSA-L
|molOrRxn=
|molOrRxn=
   -INDIGO-12112415042D
   -INDIGO-12162416542D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 87 100 10 0 0
M  V30 COUNTS 87 100 6 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 C -2.56114 1.6625 0.0 0
M  V30 1 C -2.56114 1.6625 0.0 0
Line 93: Line 93:
M  V30 78 O 6.16951 -2.47778 0.0 0
M  V30 78 O 6.16951 -2.47778 0.0 0
M  V30 79 O 7.33141 -2.47778 0.0 0 CHG=-1
M  V30 79 O 7.33141 -2.47778 0.0 0 CHG=-1
M  V30 80 S -3.99275 0.833017 0.0 0
M  V30 80 S -4.49275 1.08302 0.0 0
M  V30 81 O -4.40356 0.121507 0.0 0
M  V30 81 O -4.90356 0.371507 0.0 0
M  V30 82 O -3.58194 1.54453 0.0 0
M  V30 82 O -4.08194 1.79453 0.0 0
M  V30 83 O -4.70426 1.24383 0.0 0 CHG=-1
M  V30 83 O -5.20426 1.49383 0.0 0 CHG=-1
M  V30 84 S -3.99275 -0.820015 0.0 0
M  V30 84 S -4.29275 -0.995015 0.0 0
M  V30 85 O -3.58194 -1.53153 0.0 0
M  V30 85 O -3.88194 -1.70653 0.0 0
M  V30 86 O -4.40356 -0.108505 0.0 0
M  V30 86 O -4.70356 -0.283505 0.0 0
M  V30 87 O -4.70426 -1.23083 0.0 0 CHG=-1
M  V30 87 O -5.00426 -1.40583 0.0 0 CHG=-1
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
Line 229: Line 229:
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 0.000000) LABEL=Ph
M  V30 0.000000) LABEL=Ph
M  V30 7 SUP 7 ATOMS=(4 72 73 74 75) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
M  V30 00) LABEL="SO3-"
M  V30 8 SUP 8 ATOMS=(4 76 77 78 79) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
M  V30 00) LABEL="SO3-"
M  V30 9 SUP 9 ATOMS=(4 80 81 82 83) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
M  V30 00) LABEL="SO3-"
M  V30 10 SUP 10 ATOMS=(4 84 85 86 87) BRKXYZ=(9 0.000000 0.000000 0.000000 0-
M  V30 .000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00-
M  V30 0000) LABEL="SO3-"
M  V30 END SGROUP
M  V30 END SGROUP
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=C1(C=C(C)N2~[Cu](~N3C4C=2C=1C(=C(C=4C(=CC=3C)C1C=CC=CC=1)S([O-])(=O)=O)S([O-])(=O)=O)1~P(C2C=C(C=C3C(C)(C)C4=CC(=CC(P~1(C1C=CC=CC=1)C1C=CC=CC=1)=C4OC3=2)S([O-])(=O)=O)S([O-])(=O)=O)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1
|smiles=C1(C=C(C)N2~[Cu](~N3C4C=2C=1C(=C(C=4C(=CC=3C)C1C=CC=CC=1)S([O-])(=O)=O)S([O-])(=O)=O)1~P(C2C=C(C=C3C(C)(C)C4=CC(=CC(P~1(C1C=CC=CC=1)C1C=CC=CC=1)=C4OC3=2)S([O-])(=O)=O)S([O-])(=O)=O)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1
|inchi=1S/C39H32O7P2S2.C26H20N2O6S2.Cu/c1-39(2)33-23-31(49(40,41)42)25-35(47(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(33)46-38-34(39)24-32(50(43,44)45)26-36(38)48(29-19-11-5-12-20-29)30-21-13-6-14-22-30;1-15-13-19(17-9-5-3-6-10-17)21-23(27-15)24-22(26(36(32,33)34)25(21)35(29,30)31)20(14-16(2)28-24)18-11-7-4-8-12-18;/h3-26H,1-2H3,(H,40,41,42)(H,43,44,45);3-14H,1-2H3,(H,29,30,31)(H,32,33,34);/q;;-2/p-2
|inchi=1S/C39H32O7P2S2.C26H20N2O6S2.Cu/c1-39(2)33-23-31(49(40,41)42)25-35(47(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(33)46-38-34(39)24-32(50(43,44)45)26-36(38)48(29-19-11-5-12-20-29)30-21-13-6-14-22-30;1-15-13-19(17-9-5-3-6-10-17)21-23(27-15)24-22(26(36(32,33)34)25(21)35(29,30)31)20(14-16(2)28-24)18-11-7-4-8-12-18;/h3-26H,1-2H3,(H,40,41,42)(H,43,44,45);3-14H,1-2H3,(H,29,30,31)(H,32,33,34);/q;;-2/p-2

Revision as of 16:55, 16 December 2024

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Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation n/a
Trivialname n/a
Exact mass 1317.0832386756
Molecular formula C65H48CuN2O13P2S4-4
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a


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‎

Molecule is used on following pages

publication
investigation

Molecule roles

Investigation type Photosensitizer
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments
Ultraviolett Visuell experiments
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